Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester

Base Information

• Chemical Name: Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester
• CAS No.: 65573-07-1
• Molecular Formula: C8H14O3S2
• Molecular Weight: 222.329
• European Community (EC) Number: 265-823-1
• DSSTox Substance ID: DTXSID8070330
• Nikkaji Number: J1.258.277C
• Wikidata: Q81997587
• Mol file: 65573-07-1.mol

Synonyms:Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester;65573-07-1;3-Butyl 1-ethyl thiodicarbonate;Butyl xanthogen ethyl formate;DTXSID8070330;EINECS 265-823-1;[Butoxy(thiocarbonyl)thio]formic acid ethyl ester

Chemical Property of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester

Chemical Property:

• Vapor Pressure: 0.00606mmHg at 25°C
• Boiling Point: 272.5°Cat760mmHg
• Flash Point: 118.6°C
• Density: 1.173g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 222.03843665
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=S)SC(=O)OCC

Technology Process of Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester

There total 5 articles about Thiodicarbonic acid ((HO)C(O)SC(S)(OH)), 3-butyl 1-ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.7%

→ S-(ethoxycarbonyl) O-butyldithiocarbonate (65573-07-1)

Guidance literature:

With cetyltrimethylammonim bromide; In N,N-dimethyl-aniline; at 10 - 25 ℃; for 4h;

Reference yield: 94.0%

O-Butyl carbonochloridothioate (2812-75-1) + ethoxy(potassiosulfanyl)methanethione (35832-93-0) → S-(ethoxycarbonyl) O-butyldithiocarbonate (65573-07-1)

Guidance literature:

In water; acetone; at 0 ℃; for 0.25h;

Reference yield:

potassium butylxanthate (871-58-9) + chloroformic acid ethyl ester (541-41-3) → S-(ethoxycarbonyl) O-butyldithiocarbonate (65573-07-1)

Guidance literature:

In acetone; at 0 ℃;

upstream raw materials:

S-(ethoxycarbonyl) O-ethyl dithiocarbonate

potassium butylxanthate

O-Butyl carbonochloridothioate

ethoxy(potassiosulfanyl)methanethione